Information card for entry 2232673

Structure parameters

• Chemical name: Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
• Formula: C17 H17 N O4
• Calculated formula: C17 H17 N O4
• SMILES: COC(=O)c1c(C)nc(c(c1c1ccccc1)C(=O)OC)C
• Title of publication: Dimethyl 2,6-dimethyl-4-phenylpyridine-3,5-dicarboxylate
• Authors of publication: Gohain, Mukut; Muller, Theunis J.; Bezuidenhoudt, Barend C. B.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3481
• a: 16.0732 ± 0.0004 Å
• b: 7.2497 ± 0.0002 Å
• c: 13.1339 ± 0.0003 Å
• α: 90°
• β: 91.003 ± 0.001°
• γ: 90°
• Cell volume: 1530.2 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0508
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for all reflections included in the refinement: 0.1143
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes